1-but-3-enyl-2,3-dihydroinden-1-ol

C13H16O — CID 127005961

IUPAC1-but-3-enyl-2,3-dihydroinden-1-ol
SMILESC=CCCC1(O)CCc2ccccc21
InChIInChI=1S/C13H16O/c1-2-3-9-13(14)10-8-11-6-4-5-7-12(11)13/h2,4-7,14H,1,3,8-10H2
InChIKeyYPBIZYVRZQWVOM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.79
Rot. Bonds3

About 1-but-3-enyl-2,3-dihydroinden-1-ol

1-but-3-enyl-2,3-dihydroinden-1-ol (PubChem CID 127005961) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-but-3-enyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-but-3-enyl-2,3-dihydroinden-1-ol
PubChem CID127005961
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-but-3-enyl-2,3-dihydroinden-1-ol
SMILESC=CCCC1(O)CCc2ccccc21
InChIInChI=1S/C13H16O/c1-2-3-9-13(14)10-8-11-6-4-5-7-12(11)13/h2,4-7,14H,1,3,8-10H2
InChIKeyYPBIZYVRZQWVOM-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-but-3-enyl-2,3-dihydroinden-1-ol (CID 127005961) is 1-but-3-enyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-but-3-enyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-but-3-enyl-2,3-dihydroinden-1-ol is C=CCCC1(O)CCc2ccccc21.
What is the InChIKey of 1-but-3-enyl-2,3-dihydroinden-1-ol?
The InChIKey is YPBIZYVRZQWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-9-13(14)10-8-11-6-4-5-7-12(11)13/h2,4-7,14H,1,3,8-10H2.
What are the key properties of 1-but-3-enyl-2,3-dihydroinden-1-ol?
1-but-3-enyl-2,3-dihydroinden-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 127005961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).